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Information card for entry 8103150
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| Coordinates | 8103150.cif |
|---|
| Formula | C30 H30 Cl Co N3 O8 |
|---|---|
| Calculated formula | C30 H27 Cl Co N3 O8 |
| Title of publication | Crystal structure of [3-(N-methyl-2-pyridyl-N-hydroxy-methyl-2-pyridyl)aminopropionic acid-?4N,N',N'',O]-(flavonolato-?2O,O')cobalt(III) chloride — water (1:2), [Co(C15H17N3O3)(C15H9O3)]Cl · 2H2O |
| Authors of publication | Gábor Baráth; Gergely Rácz; Gábor Speier; József Sándor Pap; József Kaizer; Michel Giorgi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 414 |
| a | 8.1874 ± 0.0003 Å |
| b | 12.2733 ± 0.0003 Å |
| c | 16.6712 ± 0.0006 Å |
| α | 98.341 ± 0.001° |
| β | 100.289 ± 0.001° |
| γ | 104.827 ± 0.003° |
| Cell volume | 1561.03 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1388 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2223 |
| Weighted residual factors for all reflections included in the refinement | 0.2629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103150.cif |
| 200425 | 2017-09-11 | cif/8/10/31/ (antanas@kurmis) Marking atoms 'O8', 'O9', 'O10' and 'O11' as belonging to disorder groups '1', '2', '3' and '4' in entry 8103150 after consulting the original publication. |
8103150.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103150.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103150.cif |
| 29129 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103150 via cif-deposit CGI script. |
8103150.cif |
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Users of the data should acknowledge the original authors of the
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